2-amino-3-methoxy-2-methylpropanamide hydrochloride

• ChemBase ID: 273839
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(C(=O)N)(N)(COC)C.Cl
• Canonical SMILES: CC(C(=O)N)(COC)N.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-5(7,3-9-2)4(6)8;/h3,7H2,1-2H3,(H2,6,8);1H
• InChIKey: LIIPNOPEMRQGOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxy-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-3-methoxy-2-methylpropanamide hydrochloride
• Synonyms: 2-amino-3-methoxy-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD18785563
• PubChem SID: 164329749
• PubChem CID: 54592940

CALCULATED PROPERTIES

• Acid pKa: 16.166391
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.74919
• LogD (pH = 7.4): -2.05524
• Log P: -1.3566715
• Molar Refractivity: 33.3277 cm^3
• Polarizability: 13.404116 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): -1.592

Product Information

• Purity: 95%